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Information card for entry 4064783
Preview
Coordinates | 4064783.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H12 Al2 B12 Cl12 |
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Calculated formula | C4 H12 Al2 B12 Cl12 |
SMILES | [B]12345[B]678([B]9%10%11([B]%12%136(Cl)[B]6%14%159[B]9%16%17([B]%18%106([B]4%16([B]439([B]27%12([B]%13%14%174Cl)Cl)Cl)([B]58%11%18Cl)Cl)Cl)[Cl][Al](C)(C)[Cl]%15)Cl)[Cl][Al](C)(C)[Cl]1 |
Title of publication | Cationic Dialkyl Metal Compounds of Group 13 Elements (E = Al, Ga, In) Stabilized by the Weakly Coordinating Dianion [B12Cl12]2‒ |
Authors of publication | Kessler, Mathias; Knapp, Carsten; Zogaj, Ardiana |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 14 |
Pages of publication | 3786 |
a | 8.9067 ± 0.0003 Å |
b | 10.4467 ± 0.0004 Å |
c | 14.0331 ± 0.0005 Å |
α | 90° |
β | 95.59 ± 0.002° |
γ | 90° |
Cell volume | 1299.51 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0367 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0577 |
Weighted residual factors for all reflections included in the refinement | 0.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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